Hi Guys,
Can anyone tell me how I should go about adding counterions in GROMACS? Right now I am adding just enough counterions to make the net charge equal to zero. However I believe I should be adding a counterion for each charged atom on the surface, according to some algorithm. Is there some program out there, similar to Amber's CION, for deciding how many counterions to supply? I think I can use genion to actually place them, right now I just want to know how many I need.. Sam
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